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From: chemistry-request at
To: chemistry-request at
Date: Wed Apr 30 12:42:18 2008
Subject: 08.06.30 Summer School in Modeling and Informatics in Drug Design, SAS Nagar, India
SERC Summer School in Modeling and Informatics in Drug Design, SAS Nagar, India

30th June to 18 July 2008

Organized by  
National Institute of Pharmaceutical Education and Research (NIPER)
S.A.S. Nagar 160 062
Punjab, India

I am pleased to inform you that the Summer School on Modeling and 
Informatics in Drug Design will be held in NIPER, S.A.S. Nagar 
(near Chandigarh), India from 30th June to 18 July 2008. 
This summer school is being organized with the help of Department 
Science and Technology (DST) New Delhi. 


Target participants:
Indian Ph.D. students with 1-2 years of research experience.  
All costs covered by DST for academic participants. 

Rs. 10,000/- for young researchers from Indian industry.  

Total number of seats: 

35 from Academic institutions.
  5 from industrial units. 


Will be provided on NIPER campus.  

Address for Correspondence: 
Prof. Prasad V. Bharatam	
Department of Medicinal Chemistry
Natl. Inst. Pharm. Edu. Res. (NIPER)
Phase X, SAS Nagar
Sector 67, S.A.S. Nagar – 160 062
Punjab, India. 
Ph. 0172-214682 to 214687 Extn. 2018 (off)
Fax : 	0172-214692
e-mail:	midd-ss(~) / pvbharatam(~)

Important Dates:
Last date for receipt of application: 1 June 2008. 
List of topics to be covered:  

1st Week:	Molecular Modeling

1.	Introduction to Molecular Modelling 
2.	Quantum Mechanics-Fundamentals
3.	Quantum Chemistry in drug Design
4.	Chemical Bonding in Drug molecules
5.	Drug-Receptor weak Interactions in  
6.	Molecular Mechanics in Drug Design
7.	Molecular Electrostatic Potentials 
8.	Conformational analysis
9.	X-Ray structures in drug modelling. 
10.	NMR in drug modelling. 

2nd week: 	Pharmacoinformatics

11.	Data and information of drugs
12.	Bioinformatics : Sequence analysis.
13.	Bioinformatics: Phylogenetic analysis
14.	Bioinformatics: Homology modeling
15.	Chemoinformatics: 2D, 3D  search
16.	Drug data bases
17.	Drug likeness from chemoinformatics
18.	Target identification
19.	Metabolome informatics
20.	Toxicoinformatics

3rd week: 	Drug Design

21.	In vitro pharmacology  
22.	Drug-Receptor interactions
23.	QSAR methods
24.	Molecular docking 
25.	Pharmacophore mapping  
26.	Artificial Intelligence in Drug Design
27.	Virtual Screening
28.	Case studies : Drug design, synthesis and biological evaluation
29.	Proof of concept studies. 
30.	Modelling of Nanosystems for Drug delivery.
Proposed Software for Lab sessions:

1st week: Basics of Modelling

Gaussian & SPARTAN                    -- Electronic structure
Modeller & Swiss PDB / Pymol          -- Macromolecule moldeling
SYBYL                                 -- Conformational Analysis
GROMACS                               -- Molecular Dynamics
Cerius 2 & Dragon                     -- Physicochemical Properties

2nd week: Basics of informatics

CCSD                                  -- Chemoinformatics
EMBOSS / GCG                          -- Bioinformatics
GenoCluster                           -- Genome Analysis
MOE                                   -- Structural Bioinformatics   
Molecular Networks                    -- Chemoinformatics

3rd Week: Drug Design

Schrodinger / GLIDE                   -- Molecular Docking
MATLAB                                -- AI in drug design
SYBYL / CoMFA / CoMSIA                -- QSAR
CATALYST / HipHop / VS                -- Virtual Screening
VLife Science software                -- Modeling and drug design
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